1-hydroxy-2-methylprop-2-ene-1-sulfonic acid

C4H8O4S — CID 58868078

IUPAC1-hydroxy-2-methylprop-2-ene-1-sulfonic acid
SMILESC=C(C)C(O)S(=O)(=O)O
InChIInChI=1S/C4H8O4S/c1-3(2)4(5)9(6,7)8/h4-5H,1H2,2H3,(H,6,7,8)
InChIKeyZCKFZUBIJYHIJW-UHFFFAOYSA-N
MW152.17 g/mol
LogP-0.23
Rot. Bonds2

About 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid

1-hydroxy-2-methylprop-2-ene-1-sulfonic acid (PubChem CID 58868078) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name1-hydroxy-2-methylprop-2-ene-1-sulfonic acid
PubChem CID58868078
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name1-hydroxy-2-methylprop-2-ene-1-sulfonic acid
SMILESC=C(C)C(O)S(=O)(=O)O
InChIInChI=1S/C4H8O4S/c1-3(2)4(5)9(6,7)8/h4-5H,1H2,2H3,(H,6,7,8)
InChIKeyZCKFZUBIJYHIJW-UHFFFAOYSA-N
XLogP-0.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid?
The IUPAC name of 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid (CID 58868078) is 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid.
What is the SMILES notation for 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid?
The canonical SMILES for 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid is C=C(C)C(O)S(=O)(=O)O.
What is the InChIKey of 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid?
The InChIKey is ZCKFZUBIJYHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-3(2)4(5)9(6,7)8/h4-5H,1H2,2H3,(H,6,7,8).
What are the key properties of 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid?
1-hydroxy-2-methylprop-2-ene-1-sulfonic acid has a molecular weight of 152.17 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methylprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 58868078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).